CID 123980

Mr-2034

Structural Information

Molecular Formula
C19H27NO2
SMILES
CC1[C@H]2CC3=C([C@@]1(CCN2C[C@H]4CCCO4)C)C=C(C=C3)O
InChI
InChI=1S/C19H27NO2/c1-13-18-10-14-5-6-15(21)11-17(14)19(13,2)7-8-20(18)12-16-4-3-9-22-16/h5-6,11,13,16,18,21H,3-4,7-10,12H2,1-2H3/t13?,16-,18-,19-/m1/s1
InChIKey
NLKLXMMOJZHSCB-SENCRUMESA-N
Compound name
(1R,9R)-1,13-dimethyl-10-[[(2R)-oxolan-2-yl]methyl]-10-azatricyclo[7.3.1.02,7]trideca-2(7),3,5-trien-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

49
References

4
Patents

301.2042 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.21148 174.3
[M+Na]+ 324.19342 185.8
[M+NH4]+ 319.23802 185.3
[M+K]+ 340.16736 178.2
[M-H]- 300.19692 178.8
[M+Na-2H]- 322.17887 177.1
[M]+ 301.20365 177.4
[M]- 301.20475 177.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe